3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide

C22H29N3O3S — CID 56561398

IUPAC3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCC(N(C)C)C3)c2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-10-12-19(13-11-17)24(4)29(27,28)21-9-5-7-18(15-21)22(26)25-14-6-8-20(16-25)23(2)3/h5,7,9-13,15,20H,6,8,14,16H2,1-4H3
InChIKeyVAIBYTWCLHHGBV-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.99
Rot. Bonds5

About 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide

3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 56561398) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID56561398
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCC(N(C)C)C3)c2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-10-12-19(13-11-17)24(4)29(27,28)21-9-5-7-18(15-21)22(26)25-14-6-8-20(16-25)23(2)3/h5,7,9-13,15,20H,6,8,14,16H2,1-4H3
InChIKeyVAIBYTWCLHHGBV-UHFFFAOYSA-N
XLogP2.99
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 119483403
N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55884632
[3-(dimethylamino)piperidin-1-yl]-(3-iodophenyl)methanone
CID 63079570
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119380856
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
N-methyl-3-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 71909879
3-(azetidine-1-carbonyl)-N-methyl-N-(thian-4-yl)benzenesulfonamide
CID 77083695
3-(2-cyclopentyliminopyridine-1-carbonyl)-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 71844037
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604741
N-cyclohexyl-3-(1,4-diazepane-1-carbonyl)-N-methylbenzenesulfonamide
CID 119416583
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119424382

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 56561398) is 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCCC(N(C)C)C3)c2)cc1.
What is the InChIKey of 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is VAIBYTWCLHHGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-10-12-19(13-11-17)24(4)29(27,28)21-9-5-7-18(15-21)22(26)25-14-6-8-20(16-25)23(2)3/h5,7,9-13,15,20H,6,8,14,16H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide?
3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)piperidine-1-carbonyl]-N-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 56561398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).